Zeng Wu-Lan, Jian Fang-Fang
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 15;65(Pt 8):o1875. doi: 10.1107/S1600536809026877.
In the title mol-ecule, C(14)H(14)O(5), the 1,3-dioxane ring is in an envelope conformation with the ring C atom common to the cyclo-hexane ring forming the flap. The other five atoms of the 1,3-dioxane ring are essentially planar [maximum deviation from the least-squares plane = 0.041 (3) Å] and form a dihedral angle of 13.75 (2)° with the furan ring. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds form extended chains along [101].
在标题分子C(14)H(14)O(5)中,1,3 - 二氧六环环呈信封式构象,与形成瓣片的环己烷环共用的环C原子。1,3 - 二氧六环环的其他五个原子基本处于平面内[与最小二乘平面的最大偏差 = 0.041(3)Å],并与呋喃环形成13.75(2)°的二面角。在晶体结构中,弱分子间C - H⋯O氢键沿[101]形成延伸链。